3-(aminodiazenyl)-N-propylpropan-1-amine

C6H16N4 — CID 90208786

IUPAC3-(aminodiazenyl)-N-propylpropan-1-amine
SMILESCCCNCCC/N=N/N
InChIInChI=1S/C6H16N4/c1-2-4-8-5-3-6-9-10-7/h8H,2-6H2,1H3,(H2,7,9)
InChIKeyPYVDOHMPIXITGH-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.70
Rot. Bonds6

About 3-(aminodiazenyl)-N-propylpropan-1-amine

3-(aminodiazenyl)-N-propylpropan-1-amine (PubChem CID 90208786) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-(aminodiazenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(aminodiazenyl)-N-propylpropan-1-amine
PubChem CID90208786
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name3-(aminodiazenyl)-N-propylpropan-1-amine
SMILESCCCNCCC/N=N/N
InChIInChI=1S/C6H16N4/c1-2-4-8-5-3-6-9-10-7/h8H,2-6H2,1H3,(H2,7,9)
InChIKeyPYVDOHMPIXITGH-UHFFFAOYSA-N
XLogP0.70
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminodiazenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(aminodiazenyl)-N-propylpropan-1-amine (CID 90208786) is 3-(aminodiazenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(aminodiazenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(aminodiazenyl)-N-propylpropan-1-amine is CCCNCCC/N=N/N.
What is the InChIKey of 3-(aminodiazenyl)-N-propylpropan-1-amine?
The InChIKey is PYVDOHMPIXITGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-2-4-8-5-3-6-9-10-7/h8H,2-6H2,1H3,(H2,7,9).
What are the key properties of 3-(aminodiazenyl)-N-propylpropan-1-amine?
3-(aminodiazenyl)-N-propylpropan-1-amine has a molecular weight of 144.22 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminodiazenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 90208786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).